CID 56593241

Amac cpd

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC(C)C(C(=O)N1CCC1C#N)N
InChI
InChI=1S/C9H15N3O/c1-6(2)8(11)9(13)12-4-3-7(12)5-10/h6-8H,3-4,11H2,1-2H3
InChIKey
UHKUQSBZFWWHQL-UHFFFAOYSA-N
Compound name
1-(2-amino-3-methylbutanoyl)azetidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

181.1215 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.128776 143.2
[M+Na]+ 204.110718 148.0
[M-H]- 180.114224 144.4
[M+NH4]+ 199.155323 153.3
[M+K]+ 220.084658 152.1
[M+H-H2O]+ 164.118760 125.2
[M+HCOO]- 226.119701 157.6
[M+CH3COO]- 240.135351 200.8
[M+Na-2H]- 202.096166 143.1
[M]+ 181.12095142 143.3
[M]- 181.12204858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.